N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine

C13H24N2O2 — CID 62431552

IUPACN-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCN(Cc1occc1CN)CC(C)C
InChIInChI=1S/C13H24N2O2/c1-11(2)9-15(5-7-16-3)10-13-12(8-14)4-6-17-13/h4,6,11H,5,7-10,14H2,1-3H3
InChIKeyMVCLQJBCBFZRGT-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.84
Rot. Bonds8

About N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine

N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 62431552) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID62431552
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCN(Cc1occc1CN)CC(C)C
InChIInChI=1S/C13H24N2O2/c1-11(2)9-15(5-7-16-3)10-13-12(8-14)4-6-17-13/h4,6,11H,5,7-10,14H2,1-3H3
InChIKeyMVCLQJBCBFZRGT-UHFFFAOYSA-N
XLogP1.84
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422966
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65338850
N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62428599
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine
CID 62419080
5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline
CID 64770363
3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62435794
N-[[2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62435969
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline
CID 54985891
N-[[3-[[bis(2-methoxyethyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62462675
[2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine
CID 103406388
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 62428592
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 62431552) is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCN(Cc1occc1CN)CC(C)C.
What is the InChIKey of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is MVCLQJBCBFZRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)9-15(5-7-16-3)10-13-12(8-14)4-6-17-13/h4,6,11H,5,7-10,14H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 62431552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).